69706617 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 4 4 4 5 5 5 5 6 6 7 7 8 8 8 9 10 11 11 12 12 12 13 13 15 15 16 17 17 18 18 19 19 20 20 21 21 22 23 23 23 14 7 8 31 9 16 14 17 37 6 7 24 25 9 10 26 27 10 28 29 11 30 12 13 14 32 33 15 34 16 35 36 18 20 19 38 21 23 22 39 22 40 41 42 43 44 2 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 2 2 1 1 1 1 1 2 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 5.4641 8.0622 8.9282 4.5981 7.1962 8.0622 7.1962 8.9282 8.0622 8.9282 7.1962 6.3301 7.1962 5.4641 8.0622 8.9282 3.732 3.732 2.866 2.866 2 2 2.866 6.9841 6.5856 6.5856 6.9841 9.1403 9.5388 9.4651 8.0622 5.9316 6.7287 6.6592 8.0622 9.4651 4.5981 4.269 2.866 1.4631 1.4631 3.486 2.866 2.246 1.81 -2.69 0.81 0.31 -1.19 -0.69 -2.19 -2.19 0.31 -1.19 0.81 0.31 1.81 0.81 2.31 1.81 0.81 1.81 2.31 0.31 1.81 0.81 3.31 -0.6074 -1.2977 -2.0823 -2.7726 -2.7726 -2.0823 -0.88 -3.31 -0.1649 -0.1649 2.12 2.93 2.12 -0.31 2.12 -0.31 2.12 0.5 3.31 3.93 3.31 8 8 8 8 8 8 8 8 8 8 8 8 3 3 9 11 13 15 17 17 18 19 20 21 9 16 11 13 15 16 18 20 19 21 22 22 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 434 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B20000000000000000000000000000000000000003C408000000000000001C000001E00100000000C08C19E043EC092C81000A8033577540082802031022008D8A13864980820F2C09591842008609400C8C8071C88808E00000040000000000000008000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(m-tolyl)-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridyl]acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3-methylphenyl)-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-(3-methylphenyl)-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-3-yl]acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3-methylphenyl)-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-3-yl]acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3-methylphenyl)-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-3-yl]ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(m-tolyl)-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridyl]acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H21N3O/c1-14-4-2-6-17(12-14)22-18(23)13-16-5-3-9-21-19(16)15-7-10-20-11-8-15/h2-7,9,12,20H,8,10-11,13H2,1H3,(H,22,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 SDVZQTBXGKWJJL-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 307.168462302 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H21N3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 307.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC(=CC=C1)NC(=O)CC2=C(N=CC=C2)C3=CCNCC3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC(=CC=C1)NC(=O)CC2=C(N=CC=C2)C3=CCNCC3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 54 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 307.168462302 23 0 0 0 0 0 0 0 1 -1